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Substance Name: CRX-560
RN: 216013-87-5
UNII: 1A61V86K1C
InChIKey: SONREIMFTLIQMT-WDOKLUTQSA-N

Molecular Formula

  • C87-H163-N2-O19-P

Molecular Weight

  • 1572.2137
 
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Names and Synonyms

Name of Substance

  • CRX-560

Synonyms

  • CRX-560
  • Dodecanoic acid, (1R)-1-(2-(((1S)-1-carboxy-2-((2-deoxy-3-O-((3R)-1-oxo-3-((1-oxododecyl)oxy)tetradecyl)-2-(((3R)-1-oxo-3-((1-oxododecyl)oxy)tetradecyl)amino)-4-O-phosphono-beta-D-glucopyranosyl)oxy)ethyl)amino)-2-oxoethyl)dodecyl ester
  • UNII-1A61V86K1C

Registry Numbers

CAS Registry Number

  • 216013-87-5

FDA UNII

  • 1A61V86K1C

System Generated Number

  • 0216013875

Structure Descriptors

InChI

1S/C87H163N2O19P/c1-7-13-19-25-31-37-43-49-55-61-72(103-79(93)64-58-52-46-40-34-28-22-16-10-4)67-77(91)88-75(86(97)98)71-102-87-83(89-78(92)68-73(62-56-50-44-38-32-26-20-14-8-2)104-80(94)65-59-53-47-41-35-29-23-17-11-5)85(84(76(70-90)106-87)108-109(99,100)101)107-82(96)69-74(63-57-51-45-39-33-27-21-15-9-3)105-81(95)66-60-54-48-42-36-30-24-18-12-6/h72-76,83-85,87,90H,7-71H2,1-6H3,(H,88,91)(H,89,92)(H,97,98)(H2,99,100,101)/t72-,73-,74-,75+,76-,83-,84-,85-,87-/m1/s1

InChIKey

SONREIMFTLIQMT-WDOKLUTQSA-N

Smiles

CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC[C@@H](C(=O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)CO)OP(=O)(O)O)OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC